[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C16H22ClN4O4+ — CID 9053233

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1
InChIInChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyYTOVZWYUUHQFEN-UHFFFAOYSA-O
MW369.83 g/mol
LogP-1.34
Rot. Bonds8

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 9053233) has the molecular formula C16H22ClN4O4+ and a molecular weight of 369.83 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID9053233
Molecular FormulaC16H22ClN4O4+
Molecular Weight369.83 g/mol
Exact Mass369.13
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1
InChIInChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyYTOVZWYUUHQFEN-UHFFFAOYSA-O
XLogP-1.34
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
CID 7998367
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8709229
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 9053233) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is YTOVZWYUUHQFEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)/p+1.
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 369.83 g/mol, XLogP of -1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).